2-(3-methoxyphenyl)-2-oxoethyl 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]propanoate
Chemical Structure Depiction of
2-(3-methoxyphenyl)-2-oxoethyl 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]propanoate
2-(3-methoxyphenyl)-2-oxoethyl 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]propanoate
Compound characteristics
| Compound ID: | 4712-0022 |
| Compound Name: | 2-(3-methoxyphenyl)-2-oxoethyl 2-[rel-(4R,7S)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]propanoate |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C21 H21 N O6 |
| Smiles: | CC(C(=O)OCC(c1cccc(c1)OC)=O)N1C(C2C(C1=O)[C@@H]1C[C@H]2C=C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6341 |
| logD: | 1.6341 |
| logSw: | -1.9399 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.597 |
| InChI Key: | KXKLBHOJLHFLEY-UHFFFAOYSA-N |